[(η(6)-C6Me6)Ru(=C(OMe)CH=CMe2)(P(2-O-6-MeOC6H3)Ph2-O,P)]PF6 | 215517-05-8

• 英文名称: [(η(6)-C6Me6)Ru(=C(OMe)CH=CMe2)(P(2-O-6-MeOC6H3)Ph2-O,P)]PF6
• CAS: 215517-05-8
• 化学式: C₃₇H₄₄O₃PRu*F₆P
• 分子量: 813.762
• InChiKey: YVPMBKBRIYCMKY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  甲醇 、 sodium hexaflorophosphate 、 (η(6)-hexamethylbenzene)RuCl[PPh2(2-O-C6H3-6-OMe)] 、 2-甲基-3-丁炔-2-醇 以 甲醇 、 二氯甲烷 为溶剂， 以23.6%的产率得到[(η(6)-C6Me6)Ru(=C(OMe)CH=CMe2)(P(2-O-6-MeOC6H3)Ph2-O,P)]PF6
  参考文献：
  名称：

  Reactions of (η6-C6Me6)RuCl(MDMPP-P,O) and (η6-C6Me6)RuCl(BDMPP-P,O,O) complexes with Lewis bases or alkynes, where MDMPP-P,OP(2-O-6-MeOC6H3)Ph2 and BDMPP-P,O,OP(2-O-6-MeOC6H3)2{2,6-(MeO)2C6H3}

  摘要：

  Reaction of [(eta(6)-C6Me6)RuCl(MDMPP-P,O)] 1 (MDMPP-P, O=P(2-O-6-MeOC6H3)Ph-2] with CO under high pressure at 95 degrees gave RuCl(CO)(3)(MDMPP-P,O) 2. [(eta(6)-p-cymene)Ru(TDMPP-P,O,O)] (TDMPP-P,O,O=P(2-O-6-MeOC6H3)(2){2,6-(MeO)(2)C6H3}) reacted with CO or CO/2,6-xylyl isocyanide under high pressure to form Ru(CO)(3)(TDMPP-P,O,O) 4 or Ru(CO)(2)(XyINC)(TDMPP-P,O,O) 5 (Xyl = 2,6-Me2C6H3), respectively. Reactions of 1 with Lewis bases in the presence of NH,PF, gave [(eta(6)-C6Me6)RuL(MDMPP-P,O)](PF6) 6 (L = CO, XylNC). Complex 1 reacted with mono-substituted acetylenes in acetone in the presence of bases to form the metal alkynyl complexes [(eta(6)-C6Me6)Ru(C equivalent to CR)(MDMPP-P,O)] 7. Similar reaction of 1 with PhC equivalent to CH in the presence of NaPF6 in acetone or MeOH gave a vinylidene 8a (R=C=CHPh) and a carbene complex 9a (R = CCH2Ph(OMe)) [(eta(6)-C6Me6)Ru(=R)(MDMPP-P,O)](PF6), respectively. A reaction of 1 with HC equivalent to CCMe2OH and NaPF6 in MeOH gave a metallabutadiene complex 10c [(eta(6)-C6Me6) Ru{=C(OMe)CH=CMe2} (MDMPP-P,O)]. X-ray analyses of 6b (L = XylNC), 7a (R = Ph) and 7e (R = CH2OH) were carried out to confirm the structures; 6b, monoclinic, space group P2(1)/c (No. 14), a = 9.910(8) Angstrom, b = 25.370(7) Angstrom, c = 16.020(7) Angstrom, beta = 105.29(5)degrees, V = 3885(7) Angstrom(3), Z = 4, R = 0.050, R-W = 0.053 for 4064 reflections (I > 3.0 sigma(I)); 7a, orthorhombic, space group Pbca, a = 17.222(4) Angstrom, b = 23.772(8) Angstrom, c = 16.003(8) Angstrom, V= 6552(7) Angstrom(3), Z = 8, R = 0.052, R-W = 0.052 for 1836 reflections (I > 3.0 sigma(I)); 7e, triclinic, space group P-1 (No. 2), a = 10.639(4) Angstrom, b = 14.778(3) Angstrom, c = 10.214(3) Angstrom, alpha = 97.05(2)degrees, beta = 113.01(2)degrees, gamma = 79.12(2)degrees, V = 1449(2) Angstrom(3), Z = 2, R = 0.041, R-W = 0.040 for 3270 reflections. (I > 3.0 sigma(I)). (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00771-2